Structure & Deep Data of 2-Chloro-1,5-hexadiene (C6H9Cl)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2-Chloro-1,5-hexadiene molecule contains a total of 15 bond(s). There are 6 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), and 2 double bond(s). Images of the chemical structure of 2-Chloro-1,5-hexadiene are given below:

The 2D chemical structure image of 2-Chloro-1,5-hexadiene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Chloro-1,5-hexadiene are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 2-Chloro-1,5-hexadiene is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 2-Chloro-1,5-hexadiene. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 2-Chloro-1,5-hexadiene Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Chloro-1,5-hexadiene

  The SMILES string of 2-Chloro-1,5-hexadiene is ClC(=C)CCC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Chloro-1,5-hexadiene.

• Structure Data File (SDF/MOL File) of 2-Chloro-1,5-hexadiene

  The structure data file (SDF/MOL File) of 2-Chloro-1,5-hexadiene is available for download in the SDF page of 2-Chloro-1,5-hexadiene, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Chloro-1,5-hexadiene. The 2-Chloro-1,5-hexadiene structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 2-Chloro-1,5-hexadiene

  The molecular formula of 2-Chloro-1,5-hexadiene is available in chemical formula page of 2-Chloro-1,5-hexadiene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 2-Chloro-1,5-hexadiene

  The molecular weight of 2-Chloro-1,5-hexadiene is available in molecular weight page of 2-Chloro-1,5-hexadiene, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 2-Chloro-1,5-hexadiene

  The 2-Chloro-1,5-hexadiene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Chloro-1,5-hexadiene including the various registry numbers, if available:

  • 101933-88-4
  • 2-Chloro-1,5-hexadiene

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2-Chloro-1,5-hexadiene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Chloro-1,5-hexadiene?
C6H9Cl
How many atoms and what are the elements included the 2-Chloro-1,5-hexadiene molecule?
16 atom(s) - 9 Hydrogen atom(s), 6 Carbon atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 2-Chloro-1,5-hexadiene structure?
15 bond(s) - 6 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), and 2 double bond(s)
What’s the 2-Chloro-1,5-hexadiene’s molecular weight?
116.58836 g/mol
What’s the SMILES code of 2-Chloro-1,5-hexadiene?
ClC(=C)CCC=C
What’s the InChI string of 2-Chloro-1,5-hexadiene?
InChI=1S/C6H9Cl/c1-3-4-5-6(2)7/h3H,1-2,4-5H2
What’s the InChIKey code of 2-Chloro-1,5-hexadiene?
MBBJLMQTIJDBCM-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).